4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fluoranyl-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fluoranyl-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fluoro-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-fluoroquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-fluoroquinolin-1-ium Traditional Name: 3-besyl-4-[4-(2,5-dimethylphenyl)piperazino]-6-fluoro-quinolin-1-ium Formula: C27H27FN3O2S+ MolecularWeight: 476.585583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C27H26FN3O2S/c1-19-8-9-20(2)25(16-19)30-12-14-31(15-13-30)27-23-17-21(28)10-11-24(23)29-18-26(27)34(32,33)22-6-4-3-5-7-22/h3-11,16-18H,12-15H2,1-2H3/p+1